| Chain sequence(s) |
A: MTRDQNGTWEMESNEFDARVLKTDVNKQFEMGAAPTGDADLTTAPTPASRENPAYGKHMQDAELTQTKVIDQDGDNFKTKTTSTSGYLKGNSAAFNLVGLFGRDETAVAADDIPNVSLSQAVVELYTDTANYDVDFTVGTEFDEYTSPKVEELNVLCNAAEFTINKPKGYVGQEFPLNIKAGTVSATDTKDASIDYHEWKADVTWEGDVLVSDQKASFDADTIRIAQPKLETSILKMTTWNPTISGSGIDVDTKITDTLQIVSLQLNKMKSRKSGWKQWIEGDKLYLELTSIDEVSRQVFKKK
C: MTRDQNGTWEMESNEFDARVLKTDVNKQFEMGAAPTGDADLTTAPTPASRENPAYGKHMQDAELTQTKVIDQDGDNFKTKTTSTSGYLKGNSAAFNLVGLFGRDETAVAADDIPNVSLSQAVVELYTDTANYDVDFTVGTEFDEYTSPKVEELNVLCNAAEFTINKPKGYVGQEFPLNIKAGTVSATDTKDASIDYHEWKADVTWEGDVLVSDQKASFDADTIRIAQPKLETSILKMTTWNPTISGSGIDVDTKITDTLQIVSLQLNKMKSRKSGWKQWIEGDKLYLELTSIDEVSRQVFKKK B: MTRDQNGTWEMESNEFDARVLKTDVNKQFEMGAAPTGDADLTTAPTPASRENPAYGKHMQDAELTQTKVIDQDGDNFKTKTTSTSGYLKGNSAAFNLVGLFGRDETAVAADDIPNVSLSQAVVELYTDTANYDVDFTVGTEFDEYTSPKVEELNVLCNAAEFTINKPKGYVGQEFPLNIKAGTVSATDTKDASIDYHEWKADVTWEGDVLVSDQKASFDADTIRIAQPKLETSILKMTTWNPTISGSGIDVDTKITDTLQIVSLQLNKMKSRKSGWKQWIEGDKLYLELTSIDEVSRQVFKKK input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:23:38)
[INFO] Main: Simulation completed successfully. (00:23:52)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | -0.1873 | |
| 2 | T | A | -1.3324 | |
| 3 | R | A | -2.4060 | |
| 4 | D | A | -3.0186 | |
| 5 | Q | A | -2.4189 | |
| 6 | N | A | -3.0728 | |
| 7 | G | A | -2.0590 | |
| 8 | T | A | -1.7619 | |
| 9 | W | A | 0.0000 | |
| 10 | E | A | -1.1019 | |
| 11 | M | A | 0.0000 | |
| 12 | E | A | -0.5476 | |
| 13 | S | A | -0.7242 | |
| 14 | N | A | -0.8770 | |
| 15 | E | A | -1.2146 | |
| 16 | F | A | -0.7447 | |
| 17 | D | A | -0.9798 | |
| 18 | A | A | 0.0000 | |
| 19 | R | A | -1.0942 | |
| 20 | V | A | -1.1553 | |
| 21 | L | A | 0.0000 | |
| 22 | K | A | -1.9318 | |
| 23 | T | A | 0.0000 | |
| 24 | D | A | -2.1163 | |
| 25 | V | A | -1.5171 | |
| 26 | N | A | -2.5857 | |
| 27 | K | A | -3.2389 | |
| 28 | Q | A | -3.5128 | |
| 29 | F | A | 0.0000 | |
| 30 | E | A | -2.7879 | |
| 31 | M | A | 0.0000 | |
| 32 | G | A | 0.0000 | |
| 33 | A | A | -0.4826 | |
| 34 | A | A | -0.1805 | |
| 35 | P | A | -0.3887 | |
| 36 | T | A | -0.4440 | |
| 37 | G | A | -0.9850 | |
| 38 | D | A | -1.7309 | |
| 39 | A | A | -0.9800 | |
| 40 | D | A | -1.2107 | |
| 41 | L | A | 0.0000 | |
| 42 | T | A | -0.8231 | |
| 43 | T | A | -0.4674 | |
| 44 | A | A | -0.5832 | |
| 45 | P | A | -0.4465 | |
| 46 | T | A | -0.2626 | |
| 47 | P | A | -0.7214 | |
| 48 | A | A | -1.1688 | |
| 49 | S | A | -2.0251 | |
| 50 | R | A | -2.4714 | |
| 51 | E | A | -3.1978 | |
| 52 | N | A | 0.0000 | |
| 53 | P | A | -0.9017 | |
| 54 | A | A | 0.0000 | |
| 55 | Y | A | -0.7864 | |
| 56 | G | A | -0.8076 | |
| 57 | K | A | -0.9752 | |
| 58 | H | A | -1.1790 | |
| 59 | M | A | 0.0000 | |
| 60 | Q | A | 0.0000 | |
| 61 | D | A | -0.8337 | |
| 62 | A | A | 0.0000 | |
| 63 | E | A | -1.3554 | |
| 64 | L | A | 0.0000 | |
| 65 | T | A | -0.5759 | |
| 66 | Q | A | 0.0000 | |
| 67 | T | A | -0.4357 | |
| 68 | K | A | 0.0000 | |
| 69 | V | A | -1.2956 | |
| 70 | I | A | 0.0000 | |
| 71 | D | A | -2.7869 | |
| 72 | Q | A | 0.0000 | |
| 73 | D | A | -3.6102 | |
| 74 | G | A | -2.8573 | |
| 75 | D | A | -1.9674 | |
| 76 | N | A | -2.5188 | |
| 77 | F | A | 0.0000 | |
| 78 | K | A | -3.6221 | |
| 79 | T | A | 0.0000 | |
| 80 | K | A | -3.2891 | |
| 81 | T | A | 0.0000 | |
| 82 | T | A | -1.3237 | |
| 83 | S | A | 0.0000 | |
| 84 | T | A | 0.0000 | |
| 85 | S | A | 0.0000 | |
| 86 | G | A | -0.5587 | |
| 87 | Y | A | -0.3018 | |
| 88 | L | A | 0.0000 | |
| 89 | K | A | 0.0000 | |
| 90 | G | A | 0.0000 | |
| 91 | N | A | -0.4672 | |
| 92 | S | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | A | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | N | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | R | A | 0.0000 | |
| 104 | D | A | -1.3813 | |
| 105 | E | A | -1.4023 | |
| 106 | T | A | -0.9920 | |
| 107 | A | A | -0.2440 | |
| 108 | V | A | 0.0741 | |
| 109 | A | A | -0.2319 | |
| 110 | A | A | -0.5652 | |
| 111 | D | A | -1.5827 | |
| 112 | D | A | 0.0000 | |
| 113 | I | A | 0.0000 | |
| 114 | P | A | 0.0000 | |
| 115 | N | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | -0.1129 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | -0.2486 | |
| 120 | Q | A | -0.3465 | |
| 121 | A | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | E | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | Y | A | 0.0000 | |
| 127 | T | A | 0.0000 | |
| 128 | D | A | -1.3852 | |
| 129 | T | A | -0.9051 | |
| 130 | A | A | -1.0645 | |
| 131 | N | A | -1.9551 | |
| 132 | Y | A | 0.0000 | |
| 133 | D | A | -3.1599 | |
| 134 | V | A | -2.3872 | |
| 135 | D | A | -3.3108 | |
| 136 | F | A | 0.0000 | |
| 137 | T | A | -1.6776 | |
| 138 | V | A | -0.9983 | |
| 139 | G | A | -1.4388 | |
| 140 | T | A | -1.7395 | |
| 141 | E | A | -2.8249 | |
| 142 | F | A | -1.6874 | |
| 143 | D | A | -1.4193 | |
| 144 | E | A | 0.0000 | |
| 145 | Y | A | 0.0392 | |
| 146 | T | A | 0.0000 | |
| 147 | S | A | -0.7776 | |
| 148 | P | A | 0.0000 | |
| 149 | K | A | -2.3780 | |
| 150 | V | A | 0.0000 | |
| 151 | E | A | -2.5714 | |
| 152 | E | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | N | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | C | A | 0.0000 | |
| 158 | N | A | 0.0000 | |
| 159 | A | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | E | A | 0.0000 | |
| 162 | F | A | 0.0000 | |
| 163 | T | A | 0.0000 | |
| 164 | I | A | -1.1678 | |
| 165 | N | A | -2.4261 | |
| 166 | K | A | -3.5714 | |
| 167 | P | A | 0.0000 | |
| 168 | K | A | -3.3620 | |
| 169 | G | A | 0.0000 | |
| 170 | Y | A | 0.0000 | |
| 171 | V | A | -1.1481 | |
| 172 | G | A | -1.1102 | |
| 173 | Q | A | -1.3769 | |
| 174 | E | A | -2.3093 | |
| 175 | F | A | -1.4986 | |
| 176 | P | A | -0.8498 | |
| 177 | L | A | -0.7945 | |
| 178 | N | A | -1.1809 | |
| 179 | I | A | 0.1110 | |
| 180 | K | A | -0.6672 | |
| 181 | A | A | 0.0000 | |
| 182 | G | A | -0.3694 | |
| 183 | T | A | 0.0971 | |
| 184 | V | A | 1.2002 | |
| 185 | S | A | 0.3361 | |
| 186 | A | A | -0.6371 | |
| 187 | T | A | -1.3089 | |
| 188 | D | A | -2.2191 | |
| 189 | T | A | -2.0652 | |
| 190 | K | A | -2.5270 | |
| 191 | D | A | -3.5112 | |
| 192 | A | A | 0.0000 | |
| 193 | S | A | -2.2536 | |
| 194 | I | A | 0.0000 | |
| 195 | D | A | -1.2500 | |
| 196 | Y | A | 0.0000 | |
| 197 | H | A | -0.6971 | |
| 198 | E | A | 0.0000 | |
| 199 | W | A | -1.0877 | |
| 200 | K | A | 0.0000 | |
| 201 | A | A | -1.9780 | |
| 202 | D | A | -2.6918 | |
| 203 | V | A | 0.0000 | |
| 204 | T | A | -1.1934 | |
| 205 | W | A | -1.4802 | |
| 206 | E | A | -2.2024 | |
| 207 | G | A | -1.7298 | |
| 208 | D | A | -1.8875 | |
| 209 | V | A | -0.9238 | |
| 210 | L | A | 0.0000 | |
| 211 | V | A | -0.8651 | |
| 212 | S | A | -1.2892 | |
| 213 | D | A | -1.7927 | |
| 214 | Q | A | 0.0000 | |
| 215 | K | A | -2.3979 | |
| 216 | A | A | 0.0000 | |
| 217 | S | A | -1.4017 | |
| 218 | F | A | 0.0000 | |
| 219 | D | A | -1.7660 | |
| 220 | A | A | 0.0000 | |
| 221 | D | A | -2.0663 | |
| 222 | T | A | -1.1058 | |
| 223 | I | A | 0.0000 | |
| 224 | R | A | -0.9148 | |
| 225 | I | A | 0.0000 | |
| 226 | A | A | -0.4813 | |
| 227 | Q | A | 0.0000 | |
| 228 | P | A | -0.1734 | |
| 229 | K | A | -0.3583 | |
| 230 | L | A | -0.2847 | |
| 231 | E | A | -1.3700 | |
| 232 | T | A | -0.8945 | |
| 233 | S | A | -0.6039 | |
| 234 | I | A | -0.3817 | |
| 235 | L | A | 0.0000 | |
| 236 | K | A | -0.8989 | |
| 237 | M | A | -0.1506 | |
| 238 | T | A | -0.3931 | |
| 239 | T | A | -0.0783 | |
| 240 | W | A | 0.0000 | |
| 241 | N | A | 0.0000 | |
| 242 | P | A | 0.0000 | |
| 243 | T | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | S | A | -0.0833 | |
| 246 | G | A | -0.1549 | |
| 247 | S | A | 0.0000 | |
| 248 | G | A | -0.0829 | |
| 249 | I | A | -0.1191 | |
| 250 | D | A | 0.0000 | |
| 251 | V | A | 0.0988 | |
| 252 | D | A | -1.6500 | |
| 253 | T | A | -1.0559 | |
| 254 | K | A | -1.1630 | |
| 255 | I | A | -0.5213 | |
| 256 | T | A | 0.0000 | |
| 257 | D | A | 0.0000 | |
| 258 | T | A | -0.0237 | |
| 259 | L | A | 0.0000 | |
| 260 | Q | A | 0.1355 | |
| 261 | I | A | 0.3444 | |
| 262 | V | A | 0.0000 | |
| 263 | S | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | Q | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | N | A | 0.0000 | |
| 268 | K | A | -1.8594 | |
| 269 | M | A | 0.0000 | |
| 270 | K | A | -2.5441 | |
| 271 | S | A | -2.4220 | |
| 272 | R | A | -2.9757 | |
| 273 | K | A | -2.8879 | |
| 274 | S | A | -1.4681 | |
| 275 | G | A | -0.8537 | |
| 276 | W | A | 0.0000 | |
| 277 | K | A | -0.6347 | |
| 278 | Q | A | 0.0000 | |
| 279 | W | A | -0.3188 | |
| 280 | I | A | -0.8247 | |
| 281 | E | A | -1.6898 | |
| 282 | G | A | -1.7676 | |
| 283 | D | A | -2.7191 | |
| 284 | K | A | -1.8209 | |
| 285 | L | A | 0.0000 | |
| 286 | Y | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | E | A | 0.0000 | |
| 289 | L | A | -0.2944 | |
| 290 | T | A | -0.1662 | |
| 291 | S | A | -0.3149 | |
| 292 | I | A | 0.6513 | |
| 293 | D | A | -1.0176 | |
| 294 | E | A | -0.4497 | |
| 295 | V | A | 0.1038 | |
| 296 | S | A | -0.2762 | |
| 297 | R | A | -0.5075 | |
| 298 | Q | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | F | A | 0.0000 | |
| 301 | K | A | -1.5368 | |
| 302 | K | A | -2.2844 | |
| 303 | K | A | -2.4363 | |
| 1 | M | B | -0.2071 | |
| 2 | T | B | -1.3762 | |
| 3 | R | B | -2.4431 | |
| 4 | D | B | -3.0661 | |
| 5 | Q | B | -2.5267 | |
| 6 | N | B | -3.1279 | |
| 7 | G | B | -2.0995 | |
| 8 | T | B | -1.7802 | |
| 9 | W | B | 0.0000 | |
| 10 | E | B | -1.0600 | |
| 11 | M | B | 0.0000 | |
| 12 | E | B | 0.0000 | |
| 13 | S | B | -0.6645 | |
| 14 | N | B | -0.8477 | |
| 15 | E | B | -1.2574 | |
| 16 | F | B | -0.7708 | |
| 17 | D | B | -0.9773 | |
| 18 | A | B | 0.0000 | |
| 19 | R | B | -1.0799 | |
| 20 | V | B | -1.0511 | |
| 21 | L | B | 0.0000 | |
| 22 | K | B | -2.0685 | |
| 23 | T | B | 0.0000 | |
| 24 | D | B | -2.7218 | |
| 25 | V | B | -1.7608 | |
| 26 | N | B | -2.6351 | |
| 27 | K | B | -3.1634 | |
| 28 | Q | B | -3.4516 | |
| 29 | F | B | 0.0000 | |
| 30 | E | B | -2.7959 | |
| 31 | M | B | 0.0000 | |
| 32 | G | B | 0.0000 | |
| 33 | A | B | -0.4857 | |
| 34 | A | B | -0.1817 | |
| 35 | P | B | -0.3867 | |
| 36 | T | B | -0.4275 | |
| 37 | G | B | -0.9508 | |
| 38 | D | B | -1.6641 | |
| 39 | A | B | -0.9356 | |
| 40 | D | B | -1.1819 | |
| 41 | L | B | -1.0676 | |
| 42 | T | B | -0.8784 | |
| 43 | T | B | -0.5261 | |
| 44 | A | B | -0.6415 | |
| 45 | P | B | -0.4544 | |
| 46 | T | B | -0.2632 | |
| 47 | P | B | -0.7226 | |
| 48 | A | B | -1.1775 | |
| 49 | S | B | -2.0325 | |
| 50 | R | B | -2.4632 | |
| 51 | E | B | -3.1625 | |
| 52 | N | B | 0.0000 | |
| 53 | P | B | -0.8644 | |
| 54 | A | B | 0.0000 | |
| 55 | Y | B | -0.8523 | |
| 56 | G | B | -0.9258 | |
| 57 | K | B | -1.2345 | |
| 58 | H | B | -1.7370 | |
| 59 | M | B | 0.0000 | |
| 60 | Q | B | 0.0000 | |
| 61 | D | B | -0.8930 | |
| 62 | A | B | 0.0000 | |
| 63 | E | B | -1.3096 | |
| 64 | L | B | 0.0000 | |
| 65 | T | B | -0.4796 | |
| 66 | Q | B | 0.0000 | |
| 67 | T | B | -0.4042 | |
| 68 | K | B | 0.0000 | |
| 69 | V | B | -1.2548 | |
| 70 | I | B | 0.0000 | |
| 71 | D | B | -2.7121 | |
| 72 | Q | B | 0.0000 | |
| 73 | D | B | -3.5975 | |
| 74 | G | B | -2.8726 | |
| 75 | D | B | -1.9686 | |
| 76 | N | B | -2.4542 | |
| 77 | F | B | 0.0000 | |
| 78 | K | B | -3.4620 | |
| 79 | T | B | 0.0000 | |
| 80 | K | B | -3.2475 | |
| 81 | T | B | 0.0000 | |
| 82 | T | B | -1.2837 | |
| 83 | S | B | 0.0000 | |
| 84 | T | B | 0.0000 | |
| 85 | S | B | 0.0000 | |
| 86 | G | B | -0.4941 | |
| 87 | Y | B | -0.3038 | |
| 88 | L | B | 0.0000 | |
| 89 | K | B | 0.0000 | |
| 90 | G | B | 0.0000 | |
| 91 | N | B | -0.5182 | |
| 92 | S | B | 0.0000 | |
| 93 | A | B | 0.0000 | |
| 94 | A | B | 0.0000 | |
| 95 | F | B | 0.0000 | |
| 96 | N | B | 0.0000 | |
| 97 | L | B | 0.0000 | |
| 98 | V | B | 0.0000 | |
| 99 | G | B | 0.0000 | |
| 100 | L | B | 0.0000 | |
| 101 | F | B | 0.0000 | |
| 102 | G | B | 0.0000 | |
| 103 | R | B | -0.9279 | |
| 104 | D | B | -1.6390 | |
| 105 | E | B | -1.9338 | |
| 106 | T | B | -1.2609 | |
| 107 | A | B | -0.5183 | |
| 108 | V | B | -0.1123 | |
| 109 | A | B | -0.3795 | |
| 110 | A | B | -0.6312 | |
| 111 | D | B | -1.6184 | |
| 112 | D | B | 0.0000 | |
| 113 | I | B | 0.0000 | |
| 114 | P | B | 0.0000 | |
| 115 | N | B | 0.0000 | |
| 116 | V | B | 0.0000 | |
| 117 | S | B | -0.1049 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | -0.2327 | |
| 120 | Q | B | -0.3130 | |
| 121 | A | B | 0.0000 | |
| 122 | V | B | 0.0000 | |
| 123 | V | B | 0.0000 | |
| 124 | E | B | 0.0000 | |
| 125 | L | B | 0.0000 | |
| 126 | Y | B | 0.0000 | |
| 127 | T | B | 0.0000 | |
| 128 | D | B | -1.2096 | |
| 129 | T | B | -0.7592 | |
| 130 | A | B | -0.9700 | |
| 131 | N | B | -1.9375 | |
| 132 | Y | B | 0.0000 | |
| 133 | D | B | -3.1436 | |
| 134 | V | B | -2.3584 | |
| 135 | D | B | -3.2360 | |
| 136 | F | B | 0.0000 | |
| 137 | T | B | -1.6462 | |
| 138 | V | B | -0.9940 | |
| 139 | G | B | -1.4391 | |
| 140 | T | B | -1.7417 | |
| 141 | E | B | -2.8282 | |
| 142 | F | B | -1.6818 | |
| 143 | D | B | -1.4092 | |
| 144 | E | B | 0.0000 | |
| 145 | Y | B | -0.0176 | |
| 146 | T | B | 0.0000 | |
| 147 | S | B | -0.6859 | |
| 148 | P | B | 0.0000 | |
| 149 | K | B | -1.9236 | |
| 150 | V | B | 0.0000 | |
| 151 | E | B | -2.4198 | |
| 152 | E | B | -1.6019 | |
| 153 | L | B | 0.0000 | |
| 154 | N | B | 0.0000 | |
| 155 | V | B | 0.0000 | |
| 156 | L | B | 0.0000 | |
| 157 | C | B | 0.0000 | |
| 158 | N | B | 0.0000 | |
| 159 | A | B | 0.0000 | |
| 160 | A | B | 0.0000 | |
| 161 | E | B | 0.0000 | |
| 162 | F | B | 0.0000 | |
| 163 | T | B | 0.0000 | |
| 164 | I | B | -1.2333 | |
| 165 | N | B | -2.5044 | |
| 166 | K | B | -3.4596 | |
| 167 | P | B | 0.0000 | |
| 168 | K | B | -3.2821 | |
| 169 | G | B | 0.0000 | |
| 170 | Y | B | 0.0000 | |
| 171 | V | B | -1.1859 | |
| 172 | G | B | -1.0947 | |
| 173 | Q | B | -1.2961 | |
| 174 | E | B | -2.2656 | |
| 175 | F | B | -1.4653 | |
| 176 | P | B | -0.8607 | |
| 177 | L | B | -0.7883 | |
| 178 | N | B | -1.2070 | |
| 179 | I | B | -0.0488 | |
| 180 | K | B | -0.5912 | |
| 181 | A | B | 0.0000 | |
| 182 | G | B | -0.3103 | |
| 183 | T | B | 0.1641 | |
| 184 | V | B | 1.2572 | |
| 185 | S | B | 0.3684 | |
| 186 | A | B | -0.6088 | |
| 187 | T | B | -1.3065 | |
| 188 | D | B | -2.2788 | |
| 189 | T | B | -2.1050 | |
| 190 | K | B | -2.5935 | |
| 191 | D | B | -3.1594 | |
| 192 | A | B | 0.0000 | |
| 193 | S | B | -1.9920 | |
| 194 | I | B | 0.0000 | |
| 195 | D | B | -1.1458 | |
| 196 | Y | B | 0.0000 | |
| 197 | H | B | -0.6732 | |
| 198 | E | B | 0.0000 | |
| 199 | W | B | -1.0802 | |
| 200 | K | B | 0.0000 | |
| 201 | A | B | -2.0008 | |
| 202 | D | B | -2.7135 | |
| 203 | V | B | 0.0000 | |
| 204 | T | B | -1.2571 | |
| 205 | W | B | -1.5582 | |
| 206 | E | B | -2.2886 | |
| 207 | G | B | -1.7687 | |
| 208 | D | B | -1.9401 | |
| 209 | V | B | -1.1286 | |
| 210 | L | B | 0.0000 | |
| 211 | V | B | -1.1217 | |
| 212 | S | B | -1.4566 | |
| 213 | D | B | -1.9629 | |
| 214 | Q | B | 0.0000 | |
| 215 | K | B | -2.2007 | |
| 216 | A | B | 0.0000 | |
| 217 | S | B | -1.3628 | |
| 218 | F | B | 0.0000 | |
| 219 | D | B | -1.8447 | |
| 220 | A | B | 0.0000 | |
| 221 | D | B | -2.0888 | |
| 222 | T | B | -1.1315 | |
| 223 | I | B | 0.0000 | |
| 224 | R | B | -0.9218 | |
| 225 | I | B | 0.0000 | |
| 226 | A | B | -0.4359 | |
| 227 | Q | B | 0.0000 | |
| 228 | P | B | 0.0185 | |
| 229 | K | B | -0.2321 | |
| 230 | L | B | -0.1356 | |
| 231 | E | B | -1.2990 | |
| 232 | T | B | -0.8511 | |
| 233 | S | B | -0.5624 | |
| 234 | I | B | -0.3383 | |
| 235 | L | B | 0.0000 | |
| 236 | K | B | -0.9135 | |
| 237 | M | B | -0.1015 | |
| 238 | T | B | -0.3052 | |
| 239 | T | B | 0.0307 | |
| 240 | W | B | 0.0814 | |
| 241 | N | B | 0.0000 | |
| 242 | P | B | 0.0000 | |
| 243 | T | B | 0.0000 | |
| 244 | I | B | 0.0000 | |
| 245 | S | B | -0.0886 | |
| 246 | G | B | -0.1047 | |
| 247 | S | B | 0.0000 | |
| 248 | G | B | -0.0071 | |
| 249 | I | B | -0.0910 | |
| 250 | D | B | 0.0000 | |
| 251 | V | B | 0.3058 | |
| 252 | D | B | -1.5874 | |
| 253 | T | B | -1.0506 | |
| 254 | K | B | -1.3075 | |
| 255 | I | B | -0.6835 | |
| 256 | T | B | 0.0000 | |
| 257 | D | B | 0.0000 | |
| 258 | T | B | -0.0356 | |
| 259 | L | B | 0.0000 | |
| 260 | Q | B | 0.1108 | |
| 261 | I | B | 0.3495 | |
| 262 | V | B | 0.0000 | |
| 263 | S | B | 0.0000 | |
| 264 | L | B | 0.0000 | |
| 265 | Q | B | 0.0000 | |
| 266 | L | B | 0.0000 | |
| 267 | N | B | 0.0000 | |
| 268 | K | B | -2.0982 | |
| 269 | M | B | 0.0000 | |
| 270 | K | B | -2.5444 | |
| 271 | S | B | 0.0000 | |
| 272 | R | B | -2.4351 | |
| 273 | K | B | -2.6610 | |
| 274 | S | B | -1.4511 | |
| 275 | G | B | -1.0485 | |
| 276 | W | B | 0.0000 | |
| 277 | K | B | -1.1071 | |
| 278 | Q | B | 0.0000 | |
| 279 | W | B | -0.4497 | |
| 280 | I | B | -0.8192 | |
| 281 | E | B | -1.6244 | |
| 282 | G | B | -1.7025 | |
| 283 | D | B | -2.6389 | |
| 284 | K | B | -1.6919 | |
| 285 | L | B | 0.0000 | |
| 286 | Y | B | 0.0000 | |
| 287 | L | B | 0.0000 | |
| 288 | E | B | -0.5286 | |
| 289 | L | B | -0.6183 | |
| 290 | T | B | -0.2220 | |
| 291 | S | B | -0.0588 | |
| 292 | I | B | 1.0273 | |
| 293 | D | B | -0.3121 | |
| 294 | E | B | -0.1110 | |
| 295 | V | B | 0.1415 | |
| 296 | S | B | -0.3755 | |
| 297 | R | B | -0.6702 | |
| 298 | Q | B | 0.0000 | |
| 299 | V | B | 0.0000 | |
| 300 | F | B | 0.0000 | |
| 301 | K | B | -1.5702 | |
| 302 | K | B | -2.3510 | |
| 303 | K | B | -2.4895 | |
| 1 | M | C | -0.2043 | |
| 2 | T | C | -1.3716 | |
| 3 | R | C | -2.4590 | |
| 4 | D | C | -3.0508 | |
| 5 | Q | C | -2.4680 | |
| 6 | N | C | -2.9996 | |
| 7 | G | C | -1.9247 | |
| 8 | T | C | -1.5208 | |
| 9 | W | C | 0.0000 | |
| 10 | E | C | -0.9701 | |
| 11 | M | C | 0.0000 | |
| 12 | E | C | 0.0000 | |
| 13 | S | C | -0.6387 | |
| 14 | N | C | -0.8345 | |
| 15 | E | C | -1.2052 | |
| 16 | F | C | -0.7399 | |
| 17 | D | C | -1.0008 | |
| 18 | A | C | 0.0000 | |
| 19 | R | C | -1.0230 | |
| 20 | V | C | -0.8066 | |
| 21 | L | C | 0.0000 | |
| 22 | K | C | -1.6305 | |
| 23 | T | C | 0.0000 | |
| 24 | D | C | -2.2731 | |
| 25 | V | C | -1.5556 | |
| 26 | N | C | -2.4630 | |
| 27 | K | C | -2.9039 | |
| 28 | Q | C | -3.3405 | |
| 29 | F | C | 0.0000 | |
| 30 | E | C | -2.7909 | |
| 31 | M | C | 0.0000 | |
| 32 | G | C | 0.0000 | |
| 33 | A | C | -0.4836 | |
| 34 | A | C | -0.1804 | |
| 35 | P | C | -0.3810 | |
| 36 | T | C | -0.4314 | |
| 37 | G | C | -0.9610 | |
| 38 | D | C | -1.6855 | |
| 39 | A | C | -0.9659 | |
| 40 | D | C | -1.1779 | |
| 41 | L | C | 0.0000 | |
| 42 | T | C | -0.7701 | |
| 43 | T | C | -0.4397 | |
| 44 | A | C | -0.5614 | |
| 45 | P | C | -0.4455 | |
| 46 | T | C | -0.2615 | |
| 47 | P | C | -0.7226 | |
| 48 | A | C | -1.1712 | |
| 49 | S | C | -1.9907 | |
| 50 | R | C | -2.4237 | |
| 51 | E | C | -3.0996 | |
| 52 | N | C | 0.0000 | |
| 53 | P | C | -0.8324 | |
| 54 | A | C | 0.0000 | |
| 55 | Y | C | -0.6696 | |
| 56 | G | C | -0.7419 | |
| 57 | K | C | -1.0372 | |
| 58 | H | C | -1.3320 | |
| 59 | M | C | 0.0000 | |
| 60 | Q | C | 0.0000 | |
| 61 | D | C | -0.8817 | |
| 62 | A | C | 0.0000 | |
| 63 | E | C | -1.3595 | |
| 64 | L | C | 0.0000 | |
| 65 | T | C | -0.4904 | |
| 66 | Q | C | 0.0000 | |
| 67 | T | C | -0.3524 | |
| 68 | K | C | 0.0000 | |
| 69 | V | C | -0.9841 | |
| 70 | I | C | 0.0000 | |
| 71 | D | C | -2.0746 | |
| 72 | Q | C | 0.0000 | |
| 73 | D | C | -3.4272 | |
| 74 | G | C | -2.8351 | |
| 75 | D | C | -2.0134 | |
| 76 | N | C | -2.4060 | |
| 77 | F | C | 0.0000 | |
| 78 | K | C | -2.8530 | |
| 79 | T | C | 0.0000 | |
| 80 | K | C | -2.6814 | |
| 81 | T | C | 0.0000 | |
| 82 | T | C | -1.3306 | |
| 83 | S | C | 0.0000 | |
| 84 | T | C | 0.0000 | |
| 85 | S | C | 0.0000 | |
| 86 | G | C | -0.5148 | |
| 87 | Y | C | -0.3498 | |
| 88 | L | C | 0.0000 | |
| 89 | K | C | 0.0000 | |
| 90 | G | C | 0.0000 | |
| 91 | N | C | -0.5116 | |
| 92 | S | C | 0.0000 | |
| 93 | A | C | 0.0000 | |
| 94 | A | C | 0.0000 | |
| 95 | F | C | 0.0000 | |
| 96 | N | C | 0.0000 | |
| 97 | L | C | 0.0000 | |
| 98 | V | C | 0.0000 | |
| 99 | G | C | 0.0000 | |
| 100 | L | C | 0.0000 | |
| 101 | F | C | 0.0000 | |
| 102 | G | C | 0.0000 | |
| 103 | R | C | 0.0000 | |
| 104 | D | C | -1.2367 | |
| 105 | E | C | -1.3215 | |
| 106 | T | C | -0.9773 | |
| 107 | A | C | -0.3062 | |
| 108 | V | C | 0.0558 | |
| 109 | A | C | -0.2800 | |
| 110 | A | C | -0.7103 | |
| 111 | D | C | -1.6571 | |
| 112 | D | C | 0.0000 | |
| 113 | I | C | 0.0000 | |
| 114 | P | C | 0.0000 | |
| 115 | N | C | 0.0000 | |
| 116 | V | C | 0.0000 | |
| 117 | S | C | -0.1022 | |
| 118 | L | C | 0.0000 | |
| 119 | S | C | -0.2225 | |
| 120 | Q | C | -0.2986 | |
| 121 | A | C | 0.0000 | |
| 122 | V | C | 0.0000 | |
| 123 | V | C | 0.0000 | |
| 124 | E | C | 0.0000 | |
| 125 | L | C | 0.0000 | |
| 126 | Y | C | 0.0000 | |
| 127 | T | C | -0.8135 | |
| 128 | D | C | -1.3626 | |
| 129 | T | C | -1.2785 | |
| 130 | A | C | -1.1620 | |
| 131 | N | C | -1.9718 | |
| 132 | Y | C | 0.0000 | |
| 133 | D | C | -2.9064 | |
| 134 | V | C | -2.1627 | |
| 135 | D | C | -2.9899 | |
| 136 | F | C | 0.0000 | |
| 137 | T | C | -1.6333 | |
| 138 | V | C | -1.0194 | |
| 139 | G | C | -1.4468 | |
| 140 | T | C | -1.7384 | |
| 141 | E | C | -2.8409 | |
| 142 | F | C | -1.7235 | |
| 143 | D | C | -1.4962 | |
| 144 | E | C | 0.0000 | |
| 145 | Y | C | -0.0488 | |
| 146 | T | C | 0.0000 | |
| 147 | S | C | -0.7035 | |
| 148 | P | C | 0.0000 | |
| 149 | K | C | -1.4441 | |
| 150 | V | C | 0.0000 | |
| 151 | E | C | -1.6452 | |
| 152 | E | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | N | C | 0.0000 | |
| 155 | V | C | 0.0000 | |
| 156 | L | C | 0.0000 | |
| 157 | C | C | 0.0000 | |
| 158 | N | C | 0.0000 | |
| 159 | A | C | 0.0000 | |
| 160 | A | C | 0.0000 | |
| 161 | E | C | 0.0000 | |
| 162 | F | C | 0.0000 | |
| 163 | T | C | 0.0000 | |
| 164 | I | C | -0.9828 | |
| 165 | N | C | -2.0644 | |
| 166 | K | C | -2.4719 | |
| 167 | P | C | 0.0000 | |
| 168 | K | C | -3.0225 | |
| 169 | G | C | 0.0000 | |
| 170 | Y | C | 0.0000 | |
| 171 | V | C | -1.2122 | |
| 172 | G | C | -1.0932 | |
| 173 | Q | C | -1.3252 | |
| 174 | E | C | -2.2906 | |
| 175 | F | C | -1.5042 | |
| 176 | P | C | -0.9239 | |
| 177 | L | C | -0.9400 | |
| 178 | N | C | -1.5255 | |
| 179 | I | C | -0.2991 | |
| 180 | K | C | -0.8935 | |
| 181 | A | C | 0.0000 | |
| 182 | G | C | -0.4494 | |
| 183 | T | C | 0.0000 | |
| 184 | V | C | 1.1770 | |
| 185 | S | C | 0.2870 | |
| 186 | A | C | -0.7254 | |
| 187 | T | C | -1.4540 | |
| 188 | D | C | -2.4466 | |
| 189 | T | C | -2.2213 | |
| 190 | K | C | -2.7782 | |
| 191 | D | C | -2.3804 | |
| 192 | A | C | 0.0000 | |
| 193 | S | C | -1.7046 | |
| 194 | I | C | 0.0000 | |
| 195 | D | C | -1.1608 | |
| 196 | Y | C | 0.0000 | |
| 197 | H | C | -0.6880 | |
| 198 | E | C | 0.0000 | |
| 199 | W | C | -1.1462 | |
| 200 | K | C | 0.0000 | |
| 201 | A | C | -1.9943 | |
| 202 | D | C | -2.6950 | |
| 203 | V | C | 0.0000 | |
| 204 | T | C | -1.1851 | |
| 205 | W | C | -1.4832 | |
| 206 | E | C | -2.1987 | |
| 207 | G | C | -1.7411 | |
| 208 | D | C | -1.9125 | |
| 209 | V | C | -0.9347 | |
| 210 | L | C | 0.0000 | |
| 211 | V | C | -0.8562 | |
| 212 | S | C | 0.0000 | |
| 213 | D | C | -1.8189 | |
| 214 | Q | C | 0.0000 | |
| 215 | K | C | -2.0473 | |
| 216 | A | C | -1.0855 | |
| 217 | S | C | -1.1644 | |
| 218 | F | C | 0.0000 | |
| 219 | D | C | -1.7958 | |
| 220 | A | C | 0.0000 | |
| 221 | D | C | -2.0999 | |
| 222 | T | C | -1.1402 | |
| 223 | I | C | 0.0000 | |
| 224 | R | C | -1.0062 | |
| 225 | I | C | 0.0000 | |
| 226 | A | C | -0.4850 | |
| 227 | Q | C | 0.0000 | |
| 228 | P | C | -0.1606 | |
| 229 | K | C | -0.4523 | |
| 230 | L | C | -0.3946 | |
| 231 | E | C | -1.4465 | |
| 232 | T | C | -0.9251 | |
| 233 | S | C | -0.6395 | |
| 234 | I | C | -0.4001 | |
| 235 | L | C | 0.0000 | |
| 236 | K | C | -0.9484 | |
| 237 | M | C | -0.1554 | |
| 238 | T | C | -0.4224 | |
| 239 | T | C | -0.0627 | |
| 240 | W | C | 0.0573 | |
| 241 | N | C | 0.0000 | |
| 242 | P | C | 0.0000 | |
| 243 | T | C | 0.0000 | |
| 244 | I | C | 0.0000 | |
| 245 | S | C | -0.0264 | |
| 246 | G | C | -0.0727 | |
| 247 | S | C | 0.0000 | |
| 248 | G | C | 0.0297 | |
| 249 | I | C | -0.0174 | |
| 250 | D | C | 0.0000 | |
| 251 | V | C | 0.0354 | |
| 252 | D | C | -1.6804 | |
| 253 | T | C | -1.1032 | |
| 254 | K | C | -1.1992 | |
| 255 | I | C | -0.5230 | |
| 256 | T | C | 0.0000 | |
| 257 | D | C | 0.0000 | |
| 258 | T | C | -0.0175 | |
| 259 | L | C | 0.0000 | |
| 260 | Q | C | 0.1574 | |
| 261 | I | C | 0.3433 | |
| 262 | V | C | 0.0000 | |
| 263 | S | C | 0.0000 | |
| 264 | L | C | 0.0000 | |
| 265 | Q | C | 0.0000 | |
| 266 | L | C | 0.0000 | |
| 267 | N | C | 0.0000 | |
| 268 | K | C | -1.9555 | |
| 269 | M | C | 0.0000 | |
| 270 | K | C | -2.0330 | |
| 271 | S | C | 0.0000 | |
| 272 | R | C | -1.8673 | |
| 273 | K | C | -2.3636 | |
| 274 | S | C | -1.2011 | |
| 275 | G | C | -0.7475 | |
| 276 | W | C | 0.0000 | |
| 277 | K | C | -0.6453 | |
| 278 | Q | C | 0.0000 | |
| 279 | W | C | -0.3410 | |
| 280 | I | C | -0.8757 | |
| 281 | E | C | -1.7802 | |
| 282 | G | C | -1.8141 | |
| 283 | D | C | -2.7735 | |
| 284 | K | C | -1.8688 | |
| 285 | L | C | 0.0000 | |
| 286 | Y | C | 0.0000 | |
| 287 | L | C | 0.0000 | |
| 288 | E | C | 0.0000 | |
| 289 | L | C | -0.2949 | |
| 290 | T | C | -0.0158 | |
| 291 | S | C | 0.1676 | |
| 292 | I | C | 1.2349 | |
| 293 | D | C | -0.0580 | |
| 294 | E | C | 0.0096 | |
| 295 | V | C | 0.2893 | |
| 296 | S | C | -0.2715 | |
| 297 | R | C | -0.5075 | |
| 298 | Q | C | 0.0000 | |
| 299 | V | C | 0.0000 | |
| 300 | F | C | 0.0000 | |
| 301 | K | C | -1.6412 | |
| 302 | K | C | -2.2838 | |
| 303 | K | C | -2.4253 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine